USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 270 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot -72:sc= -0.731 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.102 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.249 F(o=-6.8!,f=-0.25) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 MET CE :methyl 176:sc= -0.617 (180deg=-0.734) USER MOD Single : A 23 LYS NZ :NH3+ 147:sc= 1.09 (180deg=0.384) USER MOD Single : A 25 ASN : amide:sc= -0.0174 K(o=-0.017,f=-2.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 159:sc= -0.379 (180deg=-1.01) USER MOD Single : A 30 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -2.38! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 4.607 1.216 -1.356 1.00 1.00 N ATOM 16 CA PHE A 2 4.910 2.540 -1.894 1.00 1.00 C ATOM 17 C PHE A 2 3.667 3.186 -2.525 1.00 1.00 C ATOM 18 O PHE A 2 2.679 2.523 -2.780 1.00 1.00 O ATOM 19 CB PHE A 2 6.006 2.297 -2.892 1.00 1.00 C ATOM 20 CG PHE A 2 5.599 1.302 -4.003 1.00 1.00 C ATOM 21 CD1 PHE A 2 5.734 -0.057 -3.828 1.00 1.00 C ATOM 22 CD2 PHE A 2 5.082 1.776 -5.197 1.00 1.00 C ATOM 23 CE1 PHE A 2 5.359 -0.931 -4.826 1.00 1.00 C ATOM 24 CE2 PHE A 2 4.707 0.900 -6.195 1.00 1.00 C ATOM 25 CZ PHE A 2 4.845 -0.450 -6.010 1.00 1.00 C ATOM 0 HA PHE A 2 5.222 3.245 -1.124 1.00 1.00 H new ATOM 0 HB2 PHE A 2 6.292 3.245 -3.347 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.885 1.914 -2.373 1.00 1.00 H new ATOM 0 HD1 PHE A 2 6.137 -0.441 -2.902 1.00 1.00 H new ATOM 0 HD2 PHE A 2 4.971 2.840 -5.348 1.00 1.00 H new ATOM 0 HE1 PHE A 2 5.468 -1.995 -4.679 1.00 1.00 H new ATOM 0 HE2 PHE A 2 4.304 1.279 -7.123 1.00 1.00 H new ATOM 0 HZ PHE A 2 4.551 -1.136 -6.791 1.00 1.00 H new ATOM 35 N THR A 3 3.776 4.472 -2.752 1.00 1.00 N ATOM 36 CA THR A 3 2.653 5.254 -3.363 1.00 1.00 C ATOM 37 C THR A 3 3.161 6.140 -4.511 1.00 1.00 C ATOM 38 O THR A 3 4.338 6.165 -4.815 1.00 1.00 O ATOM 39 CB THR A 3 2.012 6.139 -2.277 1.00 1.00 C ATOM 40 OG1 THR A 3 3.042 7.073 -1.978 1.00 1.00 O ATOM 41 CG2 THR A 3 1.762 5.356 -0.963 1.00 1.00 C ATOM 0 H THR A 3 4.608 5.022 -2.537 1.00 1.00 H new ATOM 0 HA THR A 3 1.918 4.558 -3.767 1.00 1.00 H new ATOM 0 HB THR A 3 1.062 6.549 -2.620 1.00 1.00 H new ATOM 0 HG1 THR A 3 3.755 6.624 -1.478 1.00 1.00 H new ATOM 0 HG21 THR A 3 1.309 6.018 -0.225 1.00 1.00 H new ATOM 0 HG22 THR A 3 1.091 4.520 -1.160 1.00 1.00 H new ATOM 0 HG23 THR A 3 2.710 4.978 -0.579 1.00 1.00 H new ATOM 49 N ASP A 4 2.231 6.840 -5.105 1.00 1.00 N ATOM 50 CA ASP A 4 2.468 7.757 -6.223 1.00 1.00 C ATOM 51 C ASP A 4 2.071 9.196 -5.802 1.00 1.00 C ATOM 52 O ASP A 4 1.727 10.007 -6.639 1.00 1.00 O ATOM 53 CB ASP A 4 1.621 7.202 -7.343 1.00 1.00 C ATOM 54 CG ASP A 4 0.208 6.801 -6.857 1.00 1.00 C ATOM 55 OD1 ASP A 4 -0.536 7.712 -6.552 1.00 1.00 O ATOM 56 OD2 ASP A 4 -0.025 5.606 -6.816 1.00 1.00 O ATOM 0 H ASP A 4 1.251 6.796 -4.826 1.00 1.00 H new ATOM 0 HA ASP A 4 3.510 7.827 -6.535 1.00 1.00 H new ATOM 0 HB2 ASP A 4 1.534 7.946 -8.135 1.00 1.00 H new ATOM 0 HB3 ASP A 4 2.116 6.332 -7.775 1.00 1.00 H new ATOM 61 N VAL A 5 2.131 9.466 -4.517 1.00 1.00 N ATOM 62 CA VAL A 5 1.772 10.826 -3.987 1.00 1.00 C ATOM 63 C VAL A 5 2.945 11.393 -3.182 1.00 1.00 C ATOM 64 O VAL A 5 3.620 10.676 -2.470 1.00 1.00 O ATOM 65 CB VAL A 5 0.500 10.684 -3.103 1.00 1.00 C ATOM 66 CG1 VAL A 5 0.158 12.023 -2.405 1.00 1.00 C ATOM 67 CG2 VAL A 5 -0.681 10.308 -4.013 1.00 1.00 C ATOM 0 H VAL A 5 2.417 8.795 -3.804 1.00 1.00 H new ATOM 0 HA VAL A 5 1.566 11.516 -4.805 1.00 1.00 H new ATOM 0 HB VAL A 5 0.683 9.923 -2.344 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -0.735 11.897 -1.793 1.00 1.00 H new ATOM 0 HG12 VAL A 5 0.992 12.327 -1.772 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -0.024 12.790 -3.158 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -1.584 10.203 -3.412 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -0.829 11.090 -4.758 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -0.468 9.364 -4.515 1.00 1.00 H new ATOM 77 N LYS A 6 3.140 12.682 -3.329 1.00 1.00 N ATOM 78 CA LYS A 6 4.248 13.376 -2.609 1.00 1.00 C ATOM 79 C LYS A 6 4.038 13.529 -1.090 1.00 1.00 C ATOM 80 O LYS A 6 2.914 13.649 -0.644 1.00 1.00 O ATOM 81 CB LYS A 6 4.444 14.776 -3.236 1.00 1.00 C ATOM 82 CG LYS A 6 4.757 14.677 -4.760 1.00 1.00 C ATOM 83 CD LYS A 6 6.012 13.810 -5.061 1.00 1.00 C ATOM 84 CE LYS A 6 7.271 14.404 -4.399 1.00 1.00 C ATOM 85 NZ LYS A 6 8.441 13.519 -4.669 1.00 1.00 N ATOM 0 H LYS A 6 2.572 13.286 -3.923 1.00 1.00 H new ATOM 0 HA LYS A 6 5.129 12.744 -2.724 1.00 1.00 H new ATOM 0 HB2 LYS A 6 3.545 15.373 -3.086 1.00 1.00 H new ATOM 0 HB3 LYS A 6 5.258 15.293 -2.728 1.00 1.00 H new ATOM 0 HG2 LYS A 6 3.896 14.253 -5.277 1.00 1.00 H new ATOM 0 HG3 LYS A 6 4.908 15.679 -5.161 1.00 1.00 H new ATOM 0 HD2 LYS A 6 5.852 12.795 -4.698 1.00 1.00 H new ATOM 0 HD3 LYS A 6 6.161 13.743 -6.139 1.00 1.00 H new ATOM 0 HE2 LYS A 6 7.461 15.404 -4.788 1.00 1.00 H new ATOM 0 HE3 LYS A 6 7.117 14.503 -3.324 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 9.290 13.920 -4.222 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 8.258 12.573 -4.278 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 8.592 13.446 -5.695 1.00 1.00 H new ATOM 99 N CYS A 7 5.122 13.515 -0.344 1.00 1.00 N ATOM 100 CA CYS A 7 5.032 13.664 1.139 1.00 1.00 C ATOM 101 C CYS A 7 6.155 14.539 1.697 1.00 1.00 C ATOM 102 O CYS A 7 7.076 14.935 1.007 1.00 1.00 O ATOM 103 CB CYS A 7 5.130 12.305 1.847 1.00 1.00 C ATOM 104 SG CYS A 7 6.616 11.320 1.536 1.00 1.00 S ATOM 0 H CYS A 7 6.069 13.406 -0.706 1.00 1.00 H new ATOM 0 HA CYS A 7 4.064 14.129 1.327 1.00 1.00 H new ATOM 0 HB2 CYS A 7 5.056 12.477 2.921 1.00 1.00 H new ATOM 0 HB3 CYS A 7 4.263 11.710 1.559 1.00 1.00 H new ATOM 109 N THR A 8 5.995 14.788 2.968 1.00 1.00 N ATOM 110 CA THR A 8 6.908 15.589 3.787 1.00 1.00 C ATOM 111 C THR A 8 7.126 14.877 5.138 1.00 1.00 C ATOM 112 O THR A 8 8.228 14.886 5.651 1.00 1.00 O ATOM 113 CB THR A 8 6.308 17.021 3.984 1.00 1.00 C ATOM 114 OG1 THR A 8 7.287 17.709 4.752 1.00 1.00 O ATOM 115 CG2 THR A 8 5.024 17.057 4.841 1.00 1.00 C ATOM 0 H THR A 8 5.199 14.431 3.496 1.00 1.00 H new ATOM 0 HA THR A 8 7.874 15.693 3.293 1.00 1.00 H new ATOM 0 HB THR A 8 6.065 17.433 3.005 1.00 1.00 H new ATOM 0 HG1 THR A 8 6.986 18.626 4.920 1.00 1.00 H new ATOM 0 HG21 THR A 8 4.674 18.085 4.928 1.00 1.00 H new ATOM 0 HG22 THR A 8 4.253 16.450 4.367 1.00 1.00 H new ATOM 0 HG23 THR A 8 5.238 16.661 5.834 1.00 1.00 H new ATOM 123 N GLY A 9 6.077 14.285 5.669 1.00 1.00 N ATOM 124 CA GLY A 9 6.175 13.566 6.981 1.00 1.00 C ATOM 125 C GLY A 9 5.547 12.167 6.940 1.00 1.00 C ATOM 126 O GLY A 9 4.785 11.845 6.048 1.00 1.00 O ATOM 0 H GLY A 9 5.150 14.270 5.244 1.00 1.00 H new ATOM 0 HA2 GLY A 9 7.224 13.480 7.266 1.00 1.00 H new ATOM 0 HA3 GLY A 9 5.682 14.158 7.752 1.00 1.00 H new ATOM 130 N SER A 10 5.898 11.380 7.928 1.00 1.00 N ATOM 131 CA SER A 10 5.403 10.001 8.066 1.00 1.00 C ATOM 132 C SER A 10 3.915 9.923 8.441 1.00 1.00 C ATOM 133 O SER A 10 3.143 9.278 7.762 1.00 1.00 O ATOM 134 CB SER A 10 6.267 9.285 9.134 1.00 1.00 C ATOM 135 OG SER A 10 6.199 10.087 10.308 1.00 1.00 O ATOM 0 H SER A 10 6.537 11.664 8.670 1.00 1.00 H new ATOM 0 HA SER A 10 5.489 9.511 7.096 1.00 1.00 H new ATOM 0 HB2 SER A 10 5.892 8.280 9.328 1.00 1.00 H new ATOM 0 HB3 SER A 10 7.297 9.180 8.794 1.00 1.00 H new ATOM 0 HG SER A 10 6.732 9.673 11.019 1.00 1.00 H new ATOM 141 N LYS A 11 3.573 10.592 9.517 1.00 1.00 N ATOM 142 CA LYS A 11 2.177 10.640 10.043 1.00 1.00 C ATOM 143 C LYS A 11 1.202 11.201 8.998 1.00 1.00 C ATOM 144 O LYS A 11 0.009 10.995 9.084 1.00 1.00 O ATOM 145 CB LYS A 11 2.191 11.513 11.298 1.00 1.00 C ATOM 146 CG LYS A 11 3.070 10.851 12.383 1.00 1.00 C ATOM 147 CD LYS A 11 3.065 11.730 13.649 1.00 1.00 C ATOM 148 CE LYS A 11 3.940 11.073 14.728 1.00 1.00 C ATOM 149 NZ LYS A 11 3.944 11.913 15.959 1.00 1.00 N ATOM 0 H LYS A 11 4.238 11.129 10.073 1.00 1.00 H new ATOM 0 HA LYS A 11 1.832 9.633 10.279 1.00 1.00 H new ATOM 0 HB2 LYS A 11 2.576 12.504 11.059 1.00 1.00 H new ATOM 0 HB3 LYS A 11 1.176 11.647 11.671 1.00 1.00 H new ATOM 0 HG2 LYS A 11 2.692 9.856 12.616 1.00 1.00 H new ATOM 0 HG3 LYS A 11 4.089 10.727 12.016 1.00 1.00 H new ATOM 0 HD2 LYS A 11 3.442 12.726 13.416 1.00 1.00 H new ATOM 0 HD3 LYS A 11 2.046 11.853 14.016 1.00 1.00 H new ATOM 0 HE2 LYS A 11 3.562 10.077 14.958 1.00 1.00 H new ATOM 0 HE3 LYS A 11 4.958 10.950 14.358 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 4.538 11.463 16.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 4.325 12.855 15.735 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 2.972 12.009 16.317 1.00 1.00 H new ATOM 163 N GLN A 12 1.751 11.902 8.042 1.00 1.00 N ATOM 164 CA GLN A 12 0.937 12.510 6.948 1.00 1.00 C ATOM 165 C GLN A 12 0.390 11.412 6.019 1.00 1.00 C ATOM 166 O GLN A 12 -0.672 11.530 5.451 1.00 1.00 O ATOM 167 CB GLN A 12 1.805 13.432 6.162 1.00 1.00 C ATOM 168 CG GLN A 12 1.014 14.207 5.075 1.00 1.00 C ATOM 169 CD GLN A 12 1.963 14.807 4.025 1.00 1.00 C ATOM 170 OE1 GLN A 12 3.212 14.428 3.969 1.00 1.00 O flip ATOM 171 NE2 GLN A 12 1.569 15.635 3.228 1.00 1.00 N flip ATOM 0 H GLN A 12 2.752 12.083 7.972 1.00 1.00 H new ATOM 0 HA GLN A 12 0.098 13.055 7.381 1.00 1.00 H new ATOM 0 HB2 GLN A 12 2.281 14.143 6.838 1.00 1.00 H new ATOM 0 HB3 GLN A 12 2.603 12.860 5.688 1.00 1.00 H new ATOM 0 HG2 GLN A 12 0.305 13.537 4.589 1.00 1.00 H new ATOM 0 HG3 GLN A 12 0.432 15.002 5.541 1.00 1.00 H new ATOM 0 HE21 GLN A 12 0.598 15.946 3.253 1.00 1.00 H new ATOM 0 HE22 GLN A 12 2.209 16.020 2.534 1.00 1.00 H new ATOM 180 N CYS A 13 1.160 10.358 5.913 1.00 1.00 N ATOM 181 CA CYS A 13 0.749 9.237 5.034 1.00 1.00 C ATOM 182 C CYS A 13 -0.272 8.319 5.675 1.00 1.00 C ATOM 183 O CYS A 13 -0.723 7.377 5.056 1.00 1.00 O ATOM 184 CB CYS A 13 1.984 8.427 4.644 1.00 1.00 C ATOM 185 SG CYS A 13 1.699 7.567 3.081 1.00 1.00 S ATOM 0 H CYS A 13 2.049 10.232 6.397 1.00 1.00 H new ATOM 0 HA CYS A 13 0.274 9.675 4.156 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.847 9.087 4.552 1.00 1.00 H new ATOM 0 HB3 CYS A 13 2.217 7.705 5.427 1.00 1.00 H new ATOM 190 N TRP A 14 -0.620 8.613 6.898 1.00 1.00 N ATOM 191 CA TRP A 14 -1.622 7.792 7.607 1.00 1.00 C ATOM 192 C TRP A 14 -3.001 8.057 6.945 1.00 1.00 C ATOM 193 O TRP A 14 -3.589 7.124 6.428 1.00 1.00 O ATOM 194 CB TRP A 14 -1.531 8.217 9.083 1.00 1.00 C ATOM 195 CG TRP A 14 -0.305 7.570 9.751 1.00 1.00 C ATOM 196 CD1 TRP A 14 0.929 7.474 9.197 1.00 1.00 C ATOM 197 CD2 TRP A 14 -0.278 7.005 10.980 1.00 1.00 C ATOM 198 NE1 TRP A 14 1.628 6.854 10.127 1.00 1.00 N ATOM 199 CE2 TRP A 14 0.991 6.526 11.238 1.00 1.00 C ATOM 200 CE3 TRP A 14 -1.278 6.849 11.937 1.00 1.00 C ATOM 201 CZ2 TRP A 14 1.277 5.893 12.445 1.00 1.00 C ATOM 202 CZ3 TRP A 14 -0.997 6.216 13.145 1.00 1.00 C ATOM 203 CH2 TRP A 14 0.277 5.738 13.399 1.00 1.00 C ATOM 0 H TRP A 14 -0.245 9.395 7.435 1.00 1.00 H new ATOM 0 HA TRP A 14 -1.460 6.716 7.550 1.00 1.00 H new ATOM 0 HB2 TRP A 14 -1.461 9.303 9.152 1.00 1.00 H new ATOM 0 HB3 TRP A 14 -2.439 7.922 9.610 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.259 7.821 8.229 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.616 6.637 9.995 1.00 1.00 H new ATOM 0 HE3 TRP A 14 -2.273 7.220 11.742 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.273 5.523 12.640 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 -1.775 6.098 13.885 1.00 1.00 H new ATOM 0 HH2 TRP A 14 0.494 5.246 14.336 1.00 1.00 H new ATOM 214 N PRO A 15 -3.488 9.286 6.950 1.00 1.00 N ATOM 215 CA PRO A 15 -4.740 9.661 6.234 1.00 1.00 C ATOM 216 C PRO A 15 -4.592 9.511 4.711 1.00 1.00 C ATOM 217 O PRO A 15 -5.484 8.990 4.071 1.00 1.00 O ATOM 218 CB PRO A 15 -5.013 11.101 6.673 1.00 1.00 C ATOM 219 CG PRO A 15 -3.592 11.649 6.900 1.00 1.00 C ATOM 220 CD PRO A 15 -2.905 10.482 7.630 1.00 1.00 C ATOM 0 HA PRO A 15 -5.577 9.007 6.480 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -5.549 11.664 5.909 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -5.615 11.142 7.581 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.094 11.891 5.961 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.598 12.558 7.501 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.821 10.520 7.525 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -3.122 10.487 8.698 1.00 1.00 H new ATOM 228 N VAL A 16 -3.484 9.968 4.175 1.00 1.00 N ATOM 229 CA VAL A 16 -3.272 9.855 2.694 1.00 1.00 C ATOM 230 C VAL A 16 -3.341 8.392 2.242 1.00 1.00 C ATOM 231 O VAL A 16 -3.981 8.088 1.254 1.00 1.00 O ATOM 232 CB VAL A 16 -1.918 10.467 2.350 1.00 1.00 C ATOM 233 CG1 VAL A 16 -1.562 10.264 0.853 1.00 1.00 C ATOM 234 CG2 VAL A 16 -1.936 11.984 2.649 1.00 1.00 C ATOM 0 H VAL A 16 -2.724 10.410 4.692 1.00 1.00 H new ATOM 0 HA VAL A 16 -4.061 10.393 2.169 1.00 1.00 H new ATOM 0 HB VAL A 16 -1.168 9.964 2.961 1.00 1.00 H new ATOM 0 HG11 VAL A 16 -0.591 10.713 0.646 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -1.524 9.198 0.629 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -2.321 10.738 0.231 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -0.966 12.415 2.401 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -2.710 12.464 2.050 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -2.145 12.144 3.707 1.00 1.00 H new ATOM 244 N CYS A 17 -2.686 7.523 2.974 1.00 1.00 N ATOM 245 CA CYS A 17 -2.721 6.080 2.581 1.00 1.00 C ATOM 246 C CYS A 17 -4.134 5.558 2.845 1.00 1.00 C ATOM 247 O CYS A 17 -4.675 4.855 2.015 1.00 1.00 O ATOM 248 CB CYS A 17 -1.740 5.241 3.399 1.00 1.00 C ATOM 249 SG CYS A 17 -1.725 3.505 2.887 1.00 1.00 S ATOM 0 H CYS A 17 -2.141 7.743 3.807 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.441 6.000 1.531 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.737 5.656 3.296 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -2.004 5.304 4.455 1.00 1.00 H new ATOM 254 N LYS A 18 -4.691 5.901 3.985 1.00 1.00 N ATOM 255 CA LYS A 18 -6.079 5.443 4.332 1.00 1.00 C ATOM 256 C LYS A 18 -6.998 5.716 3.122 1.00 1.00 C ATOM 257 O LYS A 18 -7.833 4.918 2.747 1.00 1.00 O ATOM 258 CB LYS A 18 -6.576 6.230 5.555 1.00 1.00 C ATOM 259 CG LYS A 18 -7.893 5.667 6.060 1.00 1.00 C ATOM 260 CD LYS A 18 -8.359 6.405 7.341 1.00 1.00 C ATOM 261 CE LYS A 18 -8.685 7.884 7.044 1.00 1.00 C ATOM 262 NZ LYS A 18 -9.174 8.551 8.284 1.00 1.00 N ATOM 0 H LYS A 18 -4.242 6.481 4.694 1.00 1.00 H new ATOM 0 HA LYS A 18 -6.085 4.379 4.567 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.829 6.188 6.348 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.702 7.280 5.291 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -8.654 5.761 5.285 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -7.781 4.603 6.269 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -9.240 5.910 7.749 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -7.580 6.347 8.101 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.797 8.394 6.672 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -9.442 7.949 6.262 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -9.392 9.547 8.079 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -10.032 8.070 8.621 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.439 8.502 9.018 1.00 1.00 H new ATOM 276 N GLN A 19 -6.779 6.877 2.563 1.00 1.00 N ATOM 277 CA GLN A 19 -7.552 7.348 1.379 1.00 1.00 C ATOM 278 C GLN A 19 -7.203 6.574 0.091 1.00 1.00 C ATOM 279 O GLN A 19 -8.088 6.139 -0.611 1.00 1.00 O ATOM 280 CB GLN A 19 -7.262 8.857 1.202 1.00 1.00 C ATOM 281 CG GLN A 19 -8.088 9.440 0.035 1.00 1.00 C ATOM 282 CD GLN A 19 -7.764 10.933 -0.099 1.00 1.00 C ATOM 283 OE1 GLN A 19 -8.004 11.725 0.782 1.00 1.00 O ATOM 284 NE2 GLN A 19 -7.219 11.358 -1.205 1.00 1.00 N ATOM 0 H GLN A 19 -6.074 7.537 2.890 1.00 1.00 H new ATOM 0 HA GLN A 19 -8.613 7.168 1.555 1.00 1.00 H new ATOM 0 HB2 GLN A 19 -7.500 9.388 2.123 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -6.199 9.008 1.013 1.00 1.00 H new ATOM 0 HG2 GLN A 19 -7.853 8.918 -0.892 1.00 1.00 H new ATOM 0 HG3 GLN A 19 -9.153 9.299 0.219 1.00 1.00 H new ATOM 0 HE21 GLN A 19 -7.011 10.701 -1.957 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -7.001 12.348 -1.318 1.00 1.00 H new ATOM 293 N MET A 20 -5.928 6.425 -0.161 1.00 1.00 N ATOM 294 CA MET A 20 -5.435 5.720 -1.353 1.00 1.00 C ATOM 295 C MET A 20 -5.667 4.205 -1.391 1.00 1.00 C ATOM 296 O MET A 20 -6.301 3.696 -2.295 1.00 1.00 O ATOM 297 CB MET A 20 -3.939 6.013 -1.464 1.00 1.00 C ATOM 298 CG MET A 20 -3.670 7.454 -1.912 1.00 1.00 C ATOM 299 SD MET A 20 -1.923 7.912 -2.057 1.00 1.00 S ATOM 300 CE MET A 20 -1.583 7.065 -3.620 1.00 1.00 C ATOM 0 H MET A 20 -5.189 6.783 0.444 1.00 1.00 H new ATOM 0 HA MET A 20 -6.016 6.094 -2.196 1.00 1.00 H new ATOM 0 HB2 MET A 20 -3.462 5.838 -0.500 1.00 1.00 H new ATOM 0 HB3 MET A 20 -3.485 5.321 -2.174 1.00 1.00 H new ATOM 0 HG2 MET A 20 -4.150 7.612 -2.878 1.00 1.00 H new ATOM 0 HG3 MET A 20 -4.148 8.131 -1.204 1.00 1.00 H new ATOM 0 HE1 MET A 20 -0.562 7.279 -3.935 1.00 1.00 H new ATOM 0 HE2 MET A 20 -1.703 5.990 -3.485 1.00 1.00 H new ATOM 0 HE3 MET A 20 -2.279 7.415 -4.382 1.00 1.00 H new ATOM 310 N PHE A 21 -5.143 3.543 -0.394 1.00 1.00 N ATOM 311 CA PHE A 21 -5.258 2.066 -0.270 1.00 1.00 C ATOM 312 C PHE A 21 -6.308 1.642 0.755 1.00 1.00 C ATOM 313 O PHE A 21 -7.209 0.888 0.440 1.00 1.00 O ATOM 314 CB PHE A 21 -3.896 1.523 0.127 1.00 1.00 C ATOM 315 CG PHE A 21 -2.802 1.870 -0.891 1.00 1.00 C ATOM 316 CD1 PHE A 21 -2.275 3.148 -0.947 1.00 1.00 C ATOM 317 CD2 PHE A 21 -2.332 0.915 -1.775 1.00 1.00 C ATOM 318 CE1 PHE A 21 -1.298 3.467 -1.866 1.00 1.00 C ATOM 319 CE2 PHE A 21 -1.354 1.234 -2.696 1.00 1.00 C ATOM 320 CZ PHE A 21 -0.835 2.511 -2.742 1.00 1.00 C ATOM 0 H PHE A 21 -4.623 3.984 0.364 1.00 1.00 H new ATOM 0 HA PHE A 21 -5.582 1.661 -1.229 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -3.620 1.924 1.102 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -3.958 0.440 0.233 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -2.633 3.904 -0.264 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -2.733 -0.087 -1.744 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -0.895 4.469 -1.899 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -0.994 0.482 -3.382 1.00 1.00 H new ATOM 0 HZ PHE A 21 -0.069 2.760 -3.462 1.00 1.00 H new ATOM 330 N GLY A 22 -6.154 2.139 1.955 1.00 1.00 N ATOM 331 CA GLY A 22 -7.090 1.818 3.068 1.00 1.00 C ATOM 332 C GLY A 22 -6.334 1.364 4.317 1.00 1.00 C ATOM 333 O GLY A 22 -6.780 0.483 5.027 1.00 1.00 O ATOM 0 H GLY A 22 -5.397 2.771 2.214 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.692 2.695 3.304 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -7.779 1.034 2.752 1.00 1.00 H new ATOM 337 N LYS A 23 -5.206 1.992 4.537 1.00 1.00 N ATOM 338 CA LYS A 23 -4.348 1.678 5.720 1.00 1.00 C ATOM 339 C LYS A 23 -4.097 3.012 6.446 1.00 1.00 C ATOM 340 O LYS A 23 -3.462 3.884 5.883 1.00 1.00 O ATOM 341 CB LYS A 23 -2.988 1.061 5.278 1.00 1.00 C ATOM 342 CG LYS A 23 -3.183 -0.388 4.773 1.00 1.00 C ATOM 343 CD LYS A 23 -3.464 -0.470 3.251 1.00 1.00 C ATOM 344 CE LYS A 23 -2.177 -0.180 2.440 1.00 1.00 C ATOM 345 NZ LYS A 23 -1.110 -1.168 2.767 1.00 1.00 N ATOM 0 H LYS A 23 -4.836 2.725 3.932 1.00 1.00 H new ATOM 0 HA LYS A 23 -4.842 0.951 6.365 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.546 1.670 4.489 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -2.290 1.069 6.115 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -2.290 -0.970 5.003 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.011 -0.847 5.314 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -3.843 -1.460 2.999 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -4.240 0.246 2.980 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -2.398 -0.217 1.373 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.824 0.828 2.658 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -0.529 -1.344 1.922 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -0.509 -0.791 3.528 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.546 -2.059 3.079 1.00 1.00 H new ATOM 359 N PRO A 24 -4.586 3.159 7.658 1.00 1.00 N ATOM 360 CA PRO A 24 -4.517 4.449 8.405 1.00 1.00 C ATOM 361 C PRO A 24 -3.107 4.750 8.938 1.00 1.00 C ATOM 362 O PRO A 24 -2.943 5.599 9.792 1.00 1.00 O ATOM 363 CB PRO A 24 -5.563 4.272 9.501 1.00 1.00 C ATOM 364 CG PRO A 24 -5.397 2.773 9.850 1.00 1.00 C ATOM 365 CD PRO A 24 -5.271 2.105 8.464 1.00 1.00 C ATOM 0 HA PRO A 24 -4.722 5.318 7.780 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -5.371 4.916 10.359 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -6.569 4.502 9.149 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -4.514 2.597 10.464 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.253 2.391 10.406 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -4.688 1.185 8.508 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.245 1.845 8.049 1.00 1.00 H new ATOM 373 N ASN A 25 -2.135 4.043 8.422 1.00 1.00 N ATOM 374 CA ASN A 25 -0.726 4.209 8.818 1.00 1.00 C ATOM 375 C ASN A 25 0.105 4.517 7.581 1.00 1.00 C ATOM 376 O ASN A 25 -0.402 4.642 6.486 1.00 1.00 O ATOM 377 CB ASN A 25 -0.315 2.922 9.476 1.00 1.00 C ATOM 378 CG ASN A 25 -0.865 2.869 10.906 1.00 1.00 C ATOM 379 OD1 ASN A 25 -2.059 2.846 11.131 1.00 1.00 O ATOM 380 ND2 ASN A 25 -0.023 2.851 11.902 1.00 1.00 N ATOM 0 H ASN A 25 -2.281 3.327 7.710 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.578 5.036 9.513 1.00 1.00 H new ATOM 0 HB2 ASN A 25 -0.688 2.074 8.902 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.772 2.842 9.492 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -0.368 2.818 12.861 1.00 1.00 H new ATOM 0 HD22 ASN A 25 0.981 2.870 11.722 1.00 1.00 H new ATOM 387 N GLY A 26 1.386 4.625 7.814 1.00 1.00 N ATOM 388 CA GLY A 26 2.329 4.923 6.699 1.00 1.00 C ATOM 389 C GLY A 26 3.467 5.869 7.081 1.00 1.00 C ATOM 390 O GLY A 26 3.485 6.469 8.137 1.00 1.00 O ATOM 0 H GLY A 26 1.820 4.519 8.731 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.755 3.987 6.337 1.00 1.00 H new ATOM 0 HA3 GLY A 26 1.770 5.360 5.871 1.00 1.00 H new ATOM 394 N LYS A 27 4.394 5.949 6.164 1.00 1.00 N ATOM 395 CA LYS A 27 5.611 6.819 6.319 1.00 1.00 C ATOM 396 C LYS A 27 5.856 7.658 5.067 1.00 1.00 C ATOM 397 O LYS A 27 5.002 7.755 4.213 1.00 1.00 O ATOM 398 CB LYS A 27 6.827 5.901 6.599 1.00 1.00 C ATOM 399 CG LYS A 27 6.876 5.574 8.076 1.00 1.00 C ATOM 400 CD LYS A 27 7.860 4.397 8.329 1.00 1.00 C ATOM 401 CE LYS A 27 9.318 4.866 8.168 1.00 1.00 C ATOM 402 NZ LYS A 27 10.246 3.732 8.433 1.00 1.00 N ATOM 0 H LYS A 27 4.362 5.433 5.285 1.00 1.00 H new ATOM 0 HA LYS A 27 5.459 7.512 7.147 1.00 1.00 H new ATOM 0 HB2 LYS A 27 6.748 4.985 6.014 1.00 1.00 H new ATOM 0 HB3 LYS A 27 7.749 6.396 6.293 1.00 1.00 H new ATOM 0 HG2 LYS A 27 7.193 6.451 8.640 1.00 1.00 H new ATOM 0 HG3 LYS A 27 5.880 5.309 8.431 1.00 1.00 H new ATOM 0 HD2 LYS A 27 7.709 3.999 9.332 1.00 1.00 H new ATOM 0 HD3 LYS A 27 7.654 3.587 7.630 1.00 1.00 H new ATOM 0 HE2 LYS A 27 9.477 5.250 7.160 1.00 1.00 H new ATOM 0 HE3 LYS A 27 9.524 5.685 8.857 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 11.229 4.054 8.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 10.102 3.385 9.403 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 10.056 2.963 7.759 1.00 1.00 H new ATOM 416 N CYS A 28 7.019 8.254 5.010 1.00 1.00 N ATOM 417 CA CYS A 28 7.417 9.088 3.861 1.00 1.00 C ATOM 418 C CYS A 28 8.764 8.533 3.381 1.00 1.00 C ATOM 419 O CYS A 28 9.502 7.933 4.141 1.00 1.00 O ATOM 420 CB CYS A 28 7.546 10.544 4.311 1.00 1.00 C ATOM 421 SG CYS A 28 7.915 11.761 3.021 1.00 1.00 S ATOM 0 H CYS A 28 7.725 8.188 5.743 1.00 1.00 H new ATOM 0 HA CYS A 28 6.683 9.062 3.055 1.00 1.00 H new ATOM 0 HB2 CYS A 28 6.615 10.834 4.797 1.00 1.00 H new ATOM 0 HB3 CYS A 28 8.330 10.599 5.066 1.00 1.00 H new ATOM 426 N MET A 29 9.034 8.754 2.126 1.00 1.00 N ATOM 427 CA MET A 29 10.284 8.292 1.478 1.00 1.00 C ATOM 428 C MET A 29 10.859 9.465 0.696 1.00 1.00 C ATOM 429 O MET A 29 10.719 9.533 -0.503 1.00 1.00 O ATOM 430 CB MET A 29 9.982 7.098 0.530 1.00 1.00 C ATOM 431 CG MET A 29 9.410 5.913 1.321 1.00 1.00 C ATOM 432 SD MET A 29 9.227 4.349 0.427 1.00 1.00 S ATOM 433 CE MET A 29 7.674 4.704 -0.421 1.00 1.00 C ATOM 0 H MET A 29 8.408 9.259 1.499 1.00 1.00 H new ATOM 0 HA MET A 29 11.002 7.951 2.224 1.00 1.00 H new ATOM 0 HB2 MET A 29 9.272 7.406 -0.238 1.00 1.00 H new ATOM 0 HB3 MET A 29 10.894 6.794 0.017 1.00 1.00 H new ATOM 0 HG2 MET A 29 10.053 5.738 2.184 1.00 1.00 H new ATOM 0 HG3 MET A 29 8.432 6.201 1.705 1.00 1.00 H new ATOM 0 HE1 MET A 29 7.575 4.050 -1.287 1.00 1.00 H new ATOM 0 HE2 MET A 29 6.840 4.534 0.260 1.00 1.00 H new ATOM 0 HE3 MET A 29 7.668 5.743 -0.749 1.00 1.00 H new ATOM 443 N ASN A 30 11.487 10.339 1.447 1.00 1.00 N ATOM 444 CA ASN A 30 12.135 11.582 0.914 1.00 1.00 C ATOM 445 C ASN A 30 11.427 12.075 -0.351 1.00 1.00 C ATOM 446 O ASN A 30 12.025 12.304 -1.387 1.00 1.00 O ATOM 447 CB ASN A 30 13.626 11.247 0.649 1.00 1.00 C ATOM 448 CG ASN A 30 14.394 12.510 0.233 1.00 1.00 C ATOM 449 OD1 ASN A 30 14.494 13.467 0.972 1.00 1.00 O ATOM 450 ND2 ASN A 30 14.952 12.549 -0.938 1.00 1.00 N ATOM 0 H ASN A 30 11.580 10.235 2.457 1.00 1.00 H new ATOM 0 HA ASN A 30 12.060 12.395 1.636 1.00 1.00 H new ATOM 0 HB2 ASN A 30 14.074 10.820 1.546 1.00 1.00 H new ATOM 0 HB3 ASN A 30 13.702 10.493 -0.135 1.00 1.00 H new ATOM 0 HD21 ASN A 30 15.469 13.379 -1.229 1.00 1.00 H new ATOM 0 HD22 ASN A 30 14.874 11.750 -1.567 1.00 1.00 H new ATOM 457 N GLY A 31 10.135 12.216 -0.191 1.00 1.00 N ATOM 458 CA GLY A 31 9.261 12.683 -1.296 1.00 1.00 C ATOM 459 C GLY A 31 8.061 11.812 -1.617 1.00 1.00 C ATOM 460 O GLY A 31 7.052 12.376 -1.971 1.00 1.00 O ATOM 0 H GLY A 31 9.644 12.021 0.682 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.902 13.682 -1.050 1.00 1.00 H new ATOM 0 HA3 GLY A 31 9.868 12.775 -2.197 1.00 1.00 H new ATOM 464 N LYS A 32 8.133 10.509 -1.522 1.00 1.00 N ATOM 465 CA LYS A 32 6.959 9.671 -1.836 1.00 1.00 C ATOM 466 C LYS A 32 6.405 9.064 -0.551 1.00 1.00 C ATOM 467 O LYS A 32 7.133 8.733 0.349 1.00 1.00 O ATOM 468 CB LYS A 32 7.390 8.583 -2.734 1.00 1.00 C ATOM 469 CG LYS A 32 8.222 9.057 -3.899 1.00 1.00 C ATOM 470 CD LYS A 32 8.578 7.859 -4.802 1.00 1.00 C ATOM 471 CE LYS A 32 9.423 8.352 -5.988 1.00 1.00 C ATOM 472 NZ LYS A 32 9.773 7.204 -6.872 1.00 1.00 N ATOM 0 H LYS A 32 8.966 9.994 -1.237 1.00 1.00 H new ATOM 0 HA LYS A 32 6.187 10.276 -2.312 1.00 1.00 H new ATOM 0 HB2 LYS A 32 7.964 7.855 -2.160 1.00 1.00 H new ATOM 0 HB3 LYS A 32 6.509 8.066 -3.114 1.00 1.00 H new ATOM 0 HG2 LYS A 32 7.673 9.805 -4.470 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.132 9.536 -3.538 1.00 1.00 H new ATOM 0 HD2 LYS A 32 9.130 7.111 -4.233 1.00 1.00 H new ATOM 0 HD3 LYS A 32 7.669 7.378 -5.163 1.00 1.00 H new ATOM 0 HE2 LYS A 32 8.870 9.102 -6.553 1.00 1.00 H new ATOM 0 HE3 LYS A 32 10.331 8.832 -5.624 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 10.344 7.543 -7.672 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 10.318 6.502 -6.331 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 8.902 6.764 -7.231 1.00 1.00 H new ATOM 486 N CYS A 33 5.117 8.919 -0.527 1.00 1.00 N ATOM 487 CA CYS A 33 4.420 8.349 0.660 1.00 1.00 C ATOM 488 C CYS A 33 4.697 6.840 0.807 1.00 1.00 C ATOM 489 O CYS A 33 5.086 6.184 -0.132 1.00 1.00 O ATOM 490 CB CYS A 33 2.914 8.610 0.487 1.00 1.00 C ATOM 491 SG CYS A 33 1.841 9.148 1.835 1.00 1.00 S ATOM 0 H CYS A 33 4.499 9.177 -1.297 1.00 1.00 H new ATOM 0 HA CYS A 33 4.790 8.825 1.568 1.00 1.00 H new ATOM 0 HB2 CYS A 33 2.820 9.359 -0.299 1.00 1.00 H new ATOM 0 HB3 CYS A 33 2.484 7.686 0.101 1.00 1.00 H new ATOM 496 N ARG A 34 4.483 6.349 2.000 1.00 1.00 N ATOM 497 CA ARG A 34 4.687 4.918 2.336 1.00 1.00 C ATOM 498 C ARG A 34 3.464 4.490 3.137 1.00 1.00 C ATOM 499 O ARG A 34 2.912 5.276 3.878 1.00 1.00 O ATOM 500 CB ARG A 34 5.935 4.771 3.191 1.00 1.00 C ATOM 501 CG ARG A 34 6.160 3.294 3.624 1.00 1.00 C ATOM 502 CD ARG A 34 6.597 2.437 2.420 1.00 1.00 C ATOM 503 NE ARG A 34 6.160 1.031 2.667 1.00 1.00 N ATOM 504 CZ ARG A 34 7.031 0.063 2.690 1.00 1.00 C ATOM 505 NH1 ARG A 34 7.703 -0.149 3.787 1.00 1.00 N ATOM 506 NH2 ARG A 34 7.200 -0.644 1.612 1.00 1.00 N ATOM 0 H ARG A 34 4.160 6.913 2.786 1.00 1.00 H new ATOM 0 HA ARG A 34 4.811 4.309 1.441 1.00 1.00 H new ATOM 0 HB2 ARG A 34 6.803 5.124 2.633 1.00 1.00 H new ATOM 0 HB3 ARG A 34 5.847 5.401 4.076 1.00 1.00 H new ATOM 0 HG2 ARG A 34 6.920 3.250 4.404 1.00 1.00 H new ATOM 0 HG3 ARG A 34 5.242 2.890 4.051 1.00 1.00 H new ATOM 0 HD2 ARG A 34 6.152 2.818 1.501 1.00 1.00 H new ATOM 0 HD3 ARG A 34 7.679 2.482 2.293 1.00 1.00 H new ATOM 0 HE ARG A 34 5.172 0.827 2.819 1.00 1.00 H new ATOM 0 HH11 ARG A 34 7.542 0.438 4.605 1.00 1.00 H new ATOM 0 HH12 ARG A 34 8.390 -0.902 3.827 1.00 1.00 H new ATOM 0 HH21 ARG A 34 6.657 -0.435 0.775 1.00 1.00 H new ATOM 0 HH22 ARG A 34 7.876 -1.408 1.604 1.00 1.00 H new ATOM 520 N CYS A 35 3.089 3.257 2.967 1.00 1.00 N ATOM 521 CA CYS A 35 1.936 2.678 3.667 1.00 1.00 C ATOM 522 C CYS A 35 2.467 1.505 4.476 1.00 1.00 C ATOM 523 O CYS A 35 3.551 1.007 4.232 1.00 1.00 O ATOM 524 CB CYS A 35 0.917 2.164 2.680 1.00 1.00 C ATOM 525 SG CYS A 35 -0.090 3.308 1.718 1.00 1.00 S ATOM 0 H CYS A 35 3.563 2.606 2.341 1.00 1.00 H new ATOM 0 HA CYS A 35 1.455 3.429 4.294 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.449 1.530 1.970 1.00 1.00 H new ATOM 0 HB3 CYS A 35 0.232 1.520 3.232 1.00 1.00 H new ATOM 530 N TYR A 36 1.660 1.101 5.412 1.00 1.00 N ATOM 531 CA TYR A 36 2.026 -0.034 6.293 1.00 1.00 C ATOM 532 C TYR A 36 1.033 -1.160 5.983 1.00 1.00 C ATOM 533 O TYR A 36 0.145 -0.970 5.177 1.00 1.00 O ATOM 534 CB TYR A 36 1.901 0.372 7.752 1.00 1.00 C ATOM 535 CG TYR A 36 2.933 1.415 8.257 1.00 1.00 C ATOM 536 CD1 TYR A 36 3.913 2.029 7.502 1.00 1.00 C ATOM 537 CD2 TYR A 36 2.837 1.721 9.598 1.00 1.00 C ATOM 538 CE1 TYR A 36 4.773 2.933 8.093 1.00 1.00 C ATOM 539 CE2 TYR A 36 3.688 2.614 10.182 1.00 1.00 C ATOM 540 CZ TYR A 36 4.663 3.229 9.441 1.00 1.00 C ATOM 541 OH TYR A 36 5.486 4.111 10.106 1.00 1.00 O ATOM 0 H TYR A 36 0.749 1.516 5.606 1.00 1.00 H new ATOM 0 HA TYR A 36 3.055 -0.348 6.120 1.00 1.00 H new ATOM 0 HB2 TYR A 36 0.900 0.773 7.913 1.00 1.00 H new ATOM 0 HB3 TYR A 36 1.988 -0.524 8.367 1.00 1.00 H new ATOM 0 HD1 TYR A 36 4.007 1.802 6.450 1.00 1.00 H new ATOM 0 HD2 TYR A 36 2.075 1.245 10.197 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.537 3.413 7.499 1.00 1.00 H new ATOM 0 HE2 TYR A 36 3.592 2.837 11.234 1.00 1.00 H new ATOM 0 HH TYR A 36 5.220 4.160 11.048 1.00 1.00 H new ATOM 551 N SER A 37 1.224 -2.275 6.646 1.00 1.00 N ATOM 552 CA SER A 37 0.374 -3.509 6.495 1.00 1.00 C ATOM 553 C SER A 37 -0.551 -3.505 5.243 1.00 1.00 C ATOM 554 O SER A 37 -1.760 -3.420 5.390 1.00 1.00 O ATOM 555 CB SER A 37 -0.419 -3.641 7.822 1.00 1.00 C ATOM 556 OG SER A 37 -1.126 -4.868 7.698 1.00 1.00 O ATOM 557 OXT SER A 37 0.023 -3.586 4.173 1.00 1.00 O ATOM 0 H SER A 37 1.977 -2.388 7.325 1.00 1.00 H new ATOM 0 HA SER A 37 1.010 -4.376 6.317 1.00 1.00 H new ATOM 0 HB2 SER A 37 0.249 -3.654 8.683 1.00 1.00 H new ATOM 0 HB3 SER A 37 -1.102 -2.803 7.961 1.00 1.00 H new ATOM 0 HG SER A 37 -1.655 -5.024 8.508 1.00 1.00 H new